(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate

C9H10N4O3 — CID 15672733

IUPAC(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate
SMILESCC(=O)OCc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C9H10N4O3/c1-5-3-8(15)13-9(10-5)11-7(12-13)4-16-6(2)14/h3H,4H2,1-2H3,(H,10,11,12)
InChIKeyIITIAUZPHSAEFP-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.21
Rot. Bonds2

About (5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate

(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate (PubChem CID 15672733) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is (5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate
PubChem CID15672733
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate
SMILESCC(=O)OCc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C9H10N4O3/c1-5-3-8(15)13-9(10-5)11-7(12-13)4-16-6(2)14/h3H,4H2,1-2H3,(H,10,11,12)
InChIKeyIITIAUZPHSAEFP-UHFFFAOYSA-N
XLogP-0.21
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate?
The IUPAC name of (5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate (CID 15672733) is (5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate.
What is the SMILES notation for (5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate?
The canonical SMILES for (5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate is CC(=O)OCc1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of (5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate?
The InChIKey is IITIAUZPHSAEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-5-3-8(15)13-9(10-5)11-7(12-13)4-16-6(2)14/h3H,4H2,1-2H3,(H,10,11,12).
What are the key properties of (5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate?
(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate has a molecular weight of 222.20 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl acetate is sourced from PubChem (CID 15672733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).